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Quantum Chemical Studies on Structure Activity Relationship of Natural Product Polyacetylenes

✍ Scribed by Mire Zloh; Franz Bucar; Simon Gibbons

Publisher
Springer
Year
2006
Tongue
English
Weight
309 KB
Volume
117
Category
Article
ISSN
1432-2234

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## Abstract Detailed quantum‐chemical calculations by means of semiempirical all‐valence electrons methods and a generalized (multivariable) rank correlation analysis are the fundamentals of a novel strategy of search for QSAR within homologous series of compounds. The set of molecular parameters (